N-[4-[2-(tert-butylcarbamoyl)phenyl]-1-naphthalen-2-ylsulfanyl-3-oxidanyl-butan-2-yl]-2-methyl-benzamide

Systemtic Name: N-[4-[2-(tert-butylcarbamoyl)phenyl]-1-naphthalen-2-ylsulfanyl-3-oxidanyl-butan-2-yl]-2-methyl-benzamide Openeye Name: N-[3-[2-(tert-butylcarbamoyl)phenyl]-2-hydroxy-1-(2-naphthylsulfanylmethyl)propyl]-2-methyl-benzamide CAS Name: N-[4-[2-[(tert-butylamino)-oxomethyl]phenyl]-3-hydroxy-1-(2-naphthalenylthio)butan-2-yl]-2-methylbenzamide IUPAC Name: N-[4-[2-(tert-butylcarbamoyl)phenyl]-3-hydroxy-1-naphthalen-2-ylsulfanylbutan-2-yl]-2-methylbenzamide Traditional Name: N-[3-[2-(tert-butylcarbamoyl)phenyl]-2-hydroxy-1-[(2-naphthylthio)methyl]propyl]-2-methyl-benzamide Formula: C33H36N2O3S MolecularWeight: 540.71554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(CSC2=CC3=CC=CC=C3C=C2)C(CC4=CC=CC=C4C(=O)NC(C)(C)C)O

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC(CSC2=CC3=CC=CC=C3C=C2)C(CC4=CC=CC=C4C(=O)NC(C)(C)C)O

InChI

InChI=1S/C33H36N2O3S/c1-22-11-5-9-15-27(22)31(37)34-29(21-39-26-18-17-23-12-6-7-13-24(23)19-26)30(36)20-25-14-8-10-16-28(25)32(38)35-33(2,3)4/h5-19,29-30,36H,20-21H2,1-4H3,(H,34,37)(H,35,38)